N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H22FN5O5 — CID 15541039

About N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541039) has the molecular formula C20H22FN5O5 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 15541039
• Molecular Formula: C20H22FN5O5
• Molecular Weight: 431.42 g/mol
• Exact Mass: 431.16
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4ccno4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H22FN5O5/c1-13(27)22-11-15-12-26(20(29)30-15)14-2-3-17(16(21)10-14)24-6-8-25(9-7-24)19(28)18-4-5-23-31-18/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,27)/t15-/m0/s1
• InChIKey: YLKMFVJRIVUMES-HNNXBMFYSA-N
• XLogP: 1.24
• TPSA: 108.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.42
LogP ≤ 5	1.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541039) is N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4ccno4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is YLKMFVJRIVUMES-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN5O5/c1-13(27)22-11-15-12-26(20(29)30-15)14-2-3-17(16(21)10-14)24-6-8-25(9-7-24)19(28)18-4-5-23-31-18/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,27)/t15-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).